

@article{Jacob2013,
    author = {Jacob, C. R. and Neugebauer, J.},
    title = {{Subsystem density-functional theory}},
    journal = {Wiley Interdisciplinary Reviews: Computational Molecular Science},
    volume = {4},
    number = {4},
    issn = {1759-0884},
    url = {http://dx.doi.org/10.1002/wcms.1175},
    doi = {10.1002/wcms.1175},
    pages = {325--362},
    year = {2014},
}

@article{actinide-Gomes-PCCP2013-15-15153,
        Author = {Gomes, A. S. P. and Jacob, C. R. and R{\'e}al, F. and Vallet, V. and Visscher, L.},
        Date-Added = {2012-12-27 16:46:45 +0000},
        Date-Modified = {2013-08-26 15:07:58 +0000},
        Doi = {10.1039/C3CP52090K},
        Journal = {Phys. Chem. Chem. Phys.},
        Keywords = {actinide},
        Pages = {15153--15162},
        Title = {Towards systematically improvable models for actinides in condensed phase: the electronic spectrum of uranyl in $\mathrm{Cs_2UO_2Cl_4}$ as a test case},
        Volume = {15},
        Year = {2013}
}

@article{env-gomes-arpcspc2012-108-222,
        Abstract = {Quantum chemistry has become an invaluable tool for
                  studying the electronic excitation phenomena underlying
                  many important chemical{,} biological{,} and technological
                  processes. Here{,} we review quantum-chemical approaches
                  for modeling such phenomena. In particular{,} embedding
                  methods can be particularly useful for treating localized
                  excitations in complex chemical systems. These split the
                  total system into a number of interacting subsystems. The
                  electronic excitations processes occurring in the subsystem
                  of interest are then treated with high accuracy{,} while
                  its environment is taken into account in a more approximate
                  way. In this review{,} we use a formulation based on the
                  formally exact frozen-density embedding theory as our
                  starting point. This provides a common framework for
                  discussing the different embedding approaches that are
                  currently available. Moreover{,} it also forms the basis of
                  emerging methods that allow for a seamless coupling of
                  density-functional theory and wavefunction based
                  approaches{,} both for ground and excited states. These
                  provide new possibilities for studying electronic
                  excitations in large systems with predictive quantum-chemical methods.},
        Author = {Gomes, A. S. P. and Jacob, C. R.},
        Doi = {10.1039/C2PC90007F},
        Journal = {Annu. Rep. Prog. Chem.{,} Sect. C: Phys. Chem.},
        Keywords = {env},
        Pages = {222--277},
        Title = {Quantum-chemical embedding methods for treating local electronic excitations in complex chemical systems},
        Volume = {108},
        Year = {2012}
}

@article{env-Hofener-JCP2013-139-104106,
  author = {H{\"o}fener, S. and Gomes, A. S. P. and Visscher, L.},
  doi = {10.1063/1.4820488},
  journal = {J. Chem. Phys.},
  keywords = {env},
  pages = {104106},
  title = {Solvatochromic shifts from coupled-cluster theory embedded in density functional theory},
  volume = {139},
  year = {2013}
}

@article{env-Hofener-JCP2012-136-044104,
  author = {H{\"o}fener, S. and Gomes, A. S. P. and Visscher, L.},
  doi = {10.1063/1.3675845},
  journal = {J. Chem. Phys.},
  keywords = {env},
  pages = {044104},
  title = {Molecular properties via a subsystem density functional theory formulation: A common framework for electronic embedding},
  volume = {136},
  year = {2012}
}

@article{actinide-Gomes-PCCP2008-10-5353,
  author = {Gomes, A. S. P. and Jacob, C. R. and Visscher, L.},
  date-added = {2009-01-09 15:10:18 +0100},
  date-modified = {2009-10-14 22:46:46 +0200},
  doi = {10.1039/b805739g},
  journal = {Phys. Chem. Chem. Phys.},
  keywords = {actinide},
  numpages = {10},
  pages = {5353--5362},
  title = {Calculation of local excitations in large systems by embedding wave-function theory in density-functional theory},
  volume = {10},
  year = {2008},
}

@article{Jacob2011,
 author={Jacob, C. R. and Beyhan, S. M. and Bulo, R. E. and Gomes, A. S. P. and Gotz, A. W. and Kiewisch, K. and Sikkema, J. and Visscher, L.},
 title = {{PyADF A scripting framework for multiscale quantum chemistry}},
 journal = {Journal of Computational Chemistry},
 volume = {32},
 number = {10},
 publisher = {Wiley Subscription Services, Inc., A Wiley Company},
 issn = {1096-987X},
 url = {http://dx.doi.org/10.1002/jcc.21810},
 doi = {10.1002/jcc.21810},
 pages = {2328--2338},
 keywords = {multiscale, scripting, workflow, embedding},
 year = {2011}
}

@article{env-Olejniczak-PCCP2017-19-8400,
	Author = {Olejniczak, M. and Bast, R. and Gomes, A. S. P.},
	Date-Added = {2017-01-23 11:06:01 +0000},
	Date-Modified = {2017-03-22 19:29:26 +0000},
	Doi = {10.1039/C6CP08561J},
	Journal = {Phys. Chem. Chem. Phys.},
	Keywords = {env},
	Pages = {8400--8415},
	Title = {On the calculation of second-order magnetic properties using subsystem approaches in the relativistic framework},
	Volume = {19},
	Year = {2017}
}

